2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine

C17H31N3O — CID 64778110

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(Cc1ccn(C2CCCC2)n1)C(C)C
InChIInChI=1S/C17H31N3O/c1-14(2)15(13-18-9-11-21-3)12-16-8-10-20(19-16)17-6-4-5-7-17/h8,10,14-15,17-18H,4-7,9,11-13H2,1-3H3
InChIKeyNUUFEJRGAIAWTA-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.05
Rot. Bonds9

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine

2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 64778110) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID64778110
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(Cc1ccn(C2CCCC2)n1)C(C)C
InChIInChI=1S/C17H31N3O/c1-14(2)15(13-18-9-11-21-3)12-16-8-10-20(19-16)17-6-4-5-7-17/h8,10,14-15,17-18H,4-7,9,11-13H2,1-3H3
InChIKeyNUUFEJRGAIAWTA-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64773550
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
4-(1-cyclohexylpyrazol-3-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012869
1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591641
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-amine
CID 116719628
2-cyclopentyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112570182

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 64778110) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCC(Cc1ccn(C2CCCC2)n1)C(C)C.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is NUUFEJRGAIAWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)15(13-18-9-11-21-3)12-16-8-10-20(19-16)17-6-4-5-7-17/h8,10,14-15,17-18H,4-7,9,11-13H2,1-3H3.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 64778110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).